3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide

C18H16FN3O2 — CID 110734347

IUPAC3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H16FN3O2/c19-13-8-5-12(6-9-13)7-10-17(23)20-11-16-14-3-1-2-4-15(14)18(24)22-21-16/h1-6,8-9H,7,10-11H2,(H,20,23)(H,22,24)
InChIKeyXIWPUKMXRYNSAZ-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.31
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide

3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide (PubChem CID 110734347) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
PubChem CID110734347
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H16FN3O2/c19-13-8-5-12(6-9-13)7-10-17(23)20-11-16-14-3-1-2-4-15(14)18(24)22-21-16/h1-6,8-9H,7,10-11H2,(H,20,23)(H,22,24)
InChIKeyXIWPUKMXRYNSAZ-UHFFFAOYSA-N
XLogP2.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
4-[4-[3-oxo-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propyl]phenyl]benzoic acid
CID 20819178
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 27568019
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(4-phenoxyphenyl)propanamide
CID 20819471

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide (CID 110734347) is 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide is O=C(CCc1ccc(F)cc1)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The InChIKey is XIWPUKMXRYNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-13-8-5-12(6-9-13)7-10-17(23)20-11-16-14-3-1-2-4-15(14)18(24)22-21-16/h1-6,8-9H,7,10-11H2,(H,20,23)(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide has a molecular weight of 325.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide is sourced from PubChem (CID 110734347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).